(2S)-1-cyclopentyl-N-diphenylphosphorylhexan-2-amine

C23H32NOP — CID 134983888

IUPAC(2S)-1-cyclopentyl-N-diphenylphosphorylhexan-2-amine
SMILESCCCC[C@@H](CC1CCCC1)NP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32NOP/c1-2-3-14-21(19-20-12-10-11-13-20)24-26(25,22-15-6-4-7-16-22)23-17-8-5-9-18-23/h4-9,15-18,20-21H,2-3,10-14,19H2,1H3,(H,24,25)/t21-/m0/s1
InChIKeyCKFKRPFDEZKMEJ-NRFANRHFSA-N
MW369.49 g/mol
LogP5.64
Rot. Bonds9

About (2S)-1-cyclopentyl-N-diphenylphosphorylhexan-2-amine

(2S)-1-cyclopentyl-N-diphenylphosphorylhexan-2-amine (PubChem CID 134983888) has the molecular formula C23H32NOP and a molecular weight of 369.49 g/mol. Its IUPAC name is (2S)-1-cyclopentyl-N-diphenylphosphorylhexan-2-amine.

Molecular Properties

Compound Name(2S)-1-cyclopentyl-N-diphenylphosphorylhexan-2-amine
PubChem CID134983888
Molecular FormulaC23H32NOP
Molecular Weight369.49 g/mol
Exact Mass369.22
IUPAC Name(2S)-1-cyclopentyl-N-diphenylphosphorylhexan-2-amine
SMILESCCCC[C@@H](CC1CCCC1)NP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32NOP/c1-2-3-14-21(19-20-12-10-11-13-20)24-26(25,22-15-6-4-7-16-22)23-17-8-5-9-18-23/h4-9,15-18,20-21H,2-3,10-14,19H2,1H3,(H,24,25)/t21-/m0/s1
InChIKeyCKFKRPFDEZKMEJ-NRFANRHFSA-N
XLogP5.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.49
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclopentyl-N-diphenylphosphorylhexan-2-amine?
The IUPAC name of (2S)-1-cyclopentyl-N-diphenylphosphorylhexan-2-amine (CID 134983888) is (2S)-1-cyclopentyl-N-diphenylphosphorylhexan-2-amine.
What is the SMILES notation for (2S)-1-cyclopentyl-N-diphenylphosphorylhexan-2-amine?
The canonical SMILES for (2S)-1-cyclopentyl-N-diphenylphosphorylhexan-2-amine is CCCC[C@@H](CC1CCCC1)NP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-1-cyclopentyl-N-diphenylphosphorylhexan-2-amine?
The InChIKey is CKFKRPFDEZKMEJ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H32NOP/c1-2-3-14-21(19-20-12-10-11-13-20)24-26(25,22-15-6-4-7-16-22)23-17-8-5-9-18-23/h4-9,15-18,20-21H,2-3,10-14,19H2,1H3,(H,24,25)/t21-/m0/s1.
What are the key properties of (2S)-1-cyclopentyl-N-diphenylphosphorylhexan-2-amine?
(2S)-1-cyclopentyl-N-diphenylphosphorylhexan-2-amine has a molecular weight of 369.49 g/mol, XLogP of 5.64, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclopentyl-N-diphenylphosphorylhexan-2-amine is sourced from PubChem (CID 134983888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).